Information card for entry 4087616

Structure parameters

• Formula: C38 H46 N5 O2 P S2 Zn
• Calculated formula: C38 H46 N5 O2 P S2 Zn
• SMILES: [Zn]12(SC=S)[n]3n(c(C)cc3C)C(P(=[N]2c2ccccc2)(c2ccccc2)c2ccccc2)=n2n1c(cc2C)C.O1CCCC1.O1CCCC1
• Title of publication: Mononuclear Heteroscorpionate Zwitterionic Zinc Terminal Hydride: Synthesis, Reactivity, and Catalysis for Hydrosilylation of Aldehydes
• Authors of publication: Mou, Zehuai; Xie, Hongyan; Wang, Meiyan; Liu, Na; Yao, Changguang; Li, Lei; Liu, Jingyao; Li, Shihui; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 3944
• a: 11.2018 ± 0.0011 Å
• b: 11.241 ± 0.0011 Å
• c: 16.5756 ± 0.0016 Å
• α: 93.588 ± 0.002°
• β: 103.759 ± 0.002°
• γ: 109.323 ± 0.002°
• Cell volume: 1890.2 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No